Glycoside
GD000277
Name:
NoneFormula:
C22H21O3N7FClSmiles:
Cc1cc(C)n(C[C@@H]2O[C@H](n3cnc4c(Nc5ccc(Cl)cc5F)ncnc43)[C@H](O)[C@H]2O)n1Aglycone:
Cc1cc(C)n(C)n1.Fc1cc(Cl)ccc1Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 5 |
| MolWt: | 473.9 | Num_heavy_atoms: | 33 |
| TPSA: | 123.14 | NumAromaticRings: | 4 |
Unique Aglycone
AD00279
Formula: C6H10N2
Smiles:
Cc1cc(C)n(C)n1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.16 | Num_heavy_atoms: | 8 |
| TPSA: | 17.82 | NumAromaticRings: | 1 |
AD00322
Formula: C12H6N5FCl
Smiles:
Fc1cc(Cl)ccc1Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 262.66 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
